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BDBM50242205 CHEMBL454580::cid_10298511::garcinone E
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
InChI Key: InChIKey=WVJYEKGQSBGNRP-UHFFFAOYSA-N
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human)) | BDBM50242205 (CHEMBL454580 | cid_10298511 | garcinone E) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet  | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| core protein (Hepatitis C virus) | BDBM50242205 (CHEMBL454580 | cid_10298511 | garcinone E) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >4.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29Z939R | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human)) | BDBM50242205 (CHEMBL454580 | cid_10298511 | garcinone E) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.78E+3 | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Tumor necrosis factor (Homo sapiens (Human)) | BDBM50242205 (CHEMBL454580 | cid_10298511 | garcinone E) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25M6443 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM50242205 (CHEMBL454580 | cid_10298511 | garcinone E) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Inhibition of aromatase in human placental microsomes | J Nat Prod 71: 1161-6 (2008) Article DOI: 10.1021/np8000255 BindingDB Entry DOI: 10.7270/Q21R6Q9H | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM50242205 (CHEMBL454580 | cid_10298511 | garcinone E) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| XBP1 (Homo sapiens (Human)) | BDBM50242205 (CHEMBL454580 | cid_10298511 | garcinone E) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Fatty acid synthase (Homo sapiens (Human)) | BDBM50242205 (CHEMBL454580 | cid_10298511 | garcinone E) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of FAS | Bioorg Med Chem Lett 20: 6045-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.061 BindingDB Entry DOI: 10.7270/Q2TT4R6N | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM50242205 (CHEMBL454580 | cid_10298511 | garcinone E) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
